2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one

C11H13NO — CID 135070333

IUPAC2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=CC1CC2C=CC(=C)CN2C1=O
InChIInChI=1S/C11H13NO/c1-3-9-6-10-5-4-8(2)7-12(10)11(9)13/h3-5,9-10H,1-2,6-7H2
InChIKeyUMVPATGOLXPRGG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.52
Rot. Bonds1

About 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one

2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one (PubChem CID 135070333) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
PubChem CID135070333
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=CC1CC2C=CC(=C)CN2C1=O
InChIInChI=1S/C11H13NO/c1-3-9-6-10-5-4-8(2)7-12(10)11(9)13/h3-5,9-10H,1-2,6-7H2
InChIKeyUMVPATGOLXPRGG-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The IUPAC name of 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one (CID 135070333) is 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one.
What is the SMILES notation for 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The canonical SMILES for 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one is C=CC1CC2C=CC(=C)CN2C1=O.
What is the InChIKey of 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The InChIKey is UMVPATGOLXPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-9-6-10-5-4-8(2)7-12(10)11(9)13/h3-5,9-10H,1-2,6-7H2.
What are the key properties of 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one has a molecular weight of 175.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one is sourced from PubChem (CID 135070333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).